tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate

C18H30N2O3 — CID 103782679

IUPACtert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(CCc1ccco1)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(9-10-16-8-6-12-22-16)19-13-15-7-5-11-20(15)17(21)23-18(2,3)4/h6,8,12,14-15,19H,5,7,9-11,13H2,1-4H3
InChIKeyCGDQMRJNCWWPGM-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.59
Rot. Bonds6

About tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 103782679) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID103782679
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate
SMILESCC(CCc1ccco1)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-14(9-10-16-8-6-12-22-16)19-13-15-7-5-11-20(15)17(21)23-18(2,3)4/h6,8,12,14-15,19H,5,7,9-11,13H2,1-4H3
InChIKeyCGDQMRJNCWWPGM-UHFFFAOYSA-N
XLogP3.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[1-(furan-2-yl)propan-2-ylamino]methyl]piperidine-1-carboxylate
CID 106633307
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
tert-butyl 2-[[[N-[2-(furan-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate
CID 111354628
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
CID 104864390
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
tert-butyl 2-[1-(furan-2-yl)ethoxymethyl]piperidine-1-carboxylate
CID 71633671

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate (CID 103782679) is tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate is CC(CCc1ccco1)NCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is CGDQMRJNCWWPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(9-10-16-8-6-12-22-16)19-13-15-7-5-11-20(15)17(21)23-18(2,3)4/h6,8,12,14-15,19H,5,7,9-11,13H2,1-4H3.
What are the key properties of tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(furan-2-yl)butan-2-ylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103782679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).